Information card for entry 7720287

Structure parameters

• Formula: C18 H22 O2 Ti
• Calculated formula: C18 H22 O2 Ti
• Title of publication: Expanding the Reactivity of Rosenthal's Reagent to Cyclopropenes and Allenes
• Authors of publication: Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Ruediger
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 8.5677 ± 0.0004 Å
• b: 12.2738 ± 0.0006 Å
• c: 15.0541 ± 0.0007 Å
• α: 90°
• β: 101.237 ± 0.0016°
• γ: 90°
• Cell volume: 1552.72 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No